3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide

C22H28N4O3 — CID 45218078

IUPAC3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide
SMILESCN(CC1CCCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C22H28N4O3/c1-26(15-17-6-4-5-13-28-17)22(27)12-11-21-25-24-20(29-21)10-9-16-14-23-19-8-3-2-7-18(16)19/h2-3,7-8,14,17,23H,4-6,9-13,15H2,1H3
InChIKeyYHUMTOATYBCKIC-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.30
Rot. Bonds8

About 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide (PubChem CID 45218078) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide
PubChem CID45218078
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide
SMILESCN(CC1CCCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C22H28N4O3/c1-26(15-17-6-4-5-13-28-17)22(27)12-11-21-25-24-20(29-21)10-9-16-14-23-19-8-3-2-7-18(16)19/h2-3,7-8,14,17,23H,4-6,9-13,15H2,1H3
InChIKeyYHUMTOATYBCKIC-UHFFFAOYSA-N
XLogP3.30
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42564953
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42095937
N-[(5-ethyl-2-pyridinyl)methyl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 42533133
N-methyl-3-(2-methyl-4-oxo-1H-quinolin-3-yl)-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 124754627
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51901379
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532
oxan-2-yl 3-(1H-indol-3-yl)propanoate
CID 142492756

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide (CID 45218078) is 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide is CN(CC1CCCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1.
What is the InChIKey of 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide?
The InChIKey is YHUMTOATYBCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-26(15-17-6-4-5-13-28-17)22(27)12-11-21-25-24-20(29-21)10-9-16-14-23-19-8-3-2-7-18(16)19/h2-3,7-8,14,17,23H,4-6,9-13,15H2,1H3.
What are the key properties of 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide?
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide is sourced from PubChem (CID 45218078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).